CID 578742

4-dodecyl-2-methylphenol

Structural Information

Molecular Formula
C19H32O
SMILES
CCCCCCCCCCCCC1=CC(=C(C=C1)O)C
InChI
InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3
InChIKey
RJLWSJUUDKAMPQ-UHFFFAOYSA-N
Compound name
4-dodecyl-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

276.24533 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 172.7
[M+Na]+ 299.23455 177.2
[M-H]- 275.23805 173.7
[M+NH4]+ 294.27915 188.8
[M+K]+ 315.20849 172.5
[M+H-H2O]+ 259.24259 165.8
[M+HCOO]- 321.24353 192.6
[M+CH3COO]- 335.25918 203.2
[M+Na-2H]- 297.22000 173.6
[M]+ 276.24478 176.6
[M]- 276.24588 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe